BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

Taurine

Taurine bmse000120 - Data bmse000805 - Data bmse000863 - Data

Taurine synonyms

O-Due; Taurina [Spanish]; L-Taurine; 2-Sulfoethylamine; Taurinum [Latin]; Aminoethanesulfonic acid; Aminoethylsulfonic acid; 2-Aminoethanesulfonic acid; beta-Aminoethylsulfonic acid; Ethanesulfonic acid, 2-amino-; Tauphon

Wikipedia:

Graphical representations:

taurine

View large 3D structure

Molecular Formula: C2H7NO3S

Natural Isotopic Abundance Mass: 125.1468800000

Mono-Isotopic Molecular Masses:

  • C12N14: 125.014663786
  • C13N14: 127.021373462
  • C12N15: 126.011698679
  • C13N15: 128.018408355

InChI string: InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)

IUPAC: 2-aminoethanesulfonic acid

PubChem Compound (CID): 1123
KEGG Compound ID: C00245
CAS Registry number: 107-35-7 91105-79-2
ChEBI: 15891
NSC: 32428
EINECS: 203-483-8
CCRIS: 4721
FEMA No.: 3813
PDB Compound ID: TAU

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)